N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine

C54H49N5 — CID 170096216

IUPACN-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine
SMILESCc1ccccc1C1=C(c2c(Nc3cccc(C4C=C(C5NC(c6ccccc6)NC(c6ccccc6)N5)C=CC4)c3)n(-c3ccccc3)c3ccccc23)CCC=C1
InChIInChI=1S/C54H49N5/c1-37-19-11-12-30-45(37)46-31-13-14-32-47(46)50-48-33-15-16-34-49(48)59(44-28-9-4-10-29-44)54(50)55-43-27-18-25-41(36-43)40-24-17-26-42(35-40)53-57-51(38-20-5-2-6-21-38)56-52(58-53)39-22-7-3-8-23-39/h2-13,15-23,25-31,33-36,40,51-53,55-58H,14,24,32H2,1H3
InChIKeyLFIRORNXOGYSDB-UHFFFAOYSA-N
MW768.02 g/mol
LogP12.42
Rot. Bonds9

About N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine

N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine (PubChem CID 170096216) has the molecular formula C54H49N5 and a molecular weight of 768.02 g/mol. Its IUPAC name is N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine.

Molecular Properties

Compound NameN-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine
PubChem CID170096216
Molecular FormulaC54H49N5
Molecular Weight768.02 g/mol
Exact Mass767.40
IUPAC NameN-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine
SMILESCc1ccccc1C1=C(c2c(Nc3cccc(C4C=C(C5NC(c6ccccc6)NC(c6ccccc6)N5)C=CC4)c3)n(-c3ccccc3)c3ccccc23)CCC=C1
InChIInChI=1S/C54H49N5/c1-37-19-11-12-30-45(37)46-31-13-14-32-47(46)50-48-33-15-16-34-49(48)59(44-28-9-4-10-29-44)54(50)55-43-27-18-25-41(36-43)40-24-17-26-42(35-40)53-57-51(38-20-5-2-6-21-38)56-52(58-53)39-22-7-3-8-23-39/h2-13,15-23,25-31,33-36,40,51-53,55-58H,14,24,32H2,1H3
InChIKeyLFIRORNXOGYSDB-UHFFFAOYSA-N
XLogP12.42
TPSA53.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 512.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine with MolForge

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Related Compounds

9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 146185724
8-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),5,9(14),12,16,18,20-octaene
CID 129311427
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
4-(8,9-dihydro-7H-fluoren-1-yl)-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 142548205
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 145327096
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163706708
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine?
The IUPAC name of N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine (CID 170096216) is N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine.
What is the SMILES notation for N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine?
The canonical SMILES for N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine is Cc1ccccc1C1=C(c2c(Nc3cccc(C4C=C(C5NC(c6ccccc6)NC(c6ccccc6)N5)C=CC4)c3)n(-c3ccccc3)c3ccccc23)CCC=C1.
What is the InChIKey of N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine?
The InChIKey is LFIRORNXOGYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N5/c1-37-19-11-12-30-45(37)46-31-13-14-32-47(46)50-48-33-15-16-34-49(48)59(44-28-9-4-10-29-44)54(50)55-43-27-18-25-41(36-43)40-24-17-26-42(35-40)53-57-51(38-20-5-2-6-21-38)56-52(58-53)39-22-7-3-8-23-39/h2-13,15-23,25-31,33-36,40,51-53,55-58H,14,24,32H2,1H3.
What are the key properties of N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine?
N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine has a molecular weight of 768.02 g/mol, XLogP of 12.42, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-3-[2-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]-1-phenylindol-2-amine is sourced from PubChem (CID 170096216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).